#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q h LEU 10 N 0.00 0.10 0.44 -1.84 -0.00 -1.88 -3.45 115.31 108.69 3i1q h LEU 10 Ca 0.00 -0.62 -0.19 0.00 -0.00 0.00 0.00 57.88 57.07 3i1q h LEU 10 Cb 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.55 3i1q h LEU 10 CO 0.00 1.55 -0.17 1.67 -0.00 0.00 0.00 178.44 181.49 3i1q n GLN 11 N -4.24 -0.78 -2.40 0.17 -0.06 -1.26 -4.38 117.38 104.44 3i1q n GLN 11 Ca -0.31 0.80 -0.37 0.00 -2.00 0.00 0.00 57.00 55.11 3i1q n GLN 11 Cb 0.76 -4.72 -0.03 0.00 -4.06 0.00 0.00 30.24 22.19 3i1q n GLN 11 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 3i1q s GLU 12 N -2.66 4.08 -0.30 3.69 -1.05 -1.26 -4.85 118.70 116.34 3i1q s GLU 12 Ca 0.00 1.70 -0.17 0.00 -0.15 0.00 0.00 54.97 56.35 3i1q s GLU 12 Cb 0.00 -2.61 0.18 0.00 -0.44 0.00 0.00 34.13 31.26 3i1q s GLU 12 CO 0.00 -0.26 1.13 -1.59 0.95 0.00 0.00 175.26 175.49 3i1q s LYS 13 N -2.39 0.17 0.00 -4.83 -2.85 -1.26 -5.10 119.74 103.49 3i1q s LYS 13 Ca 0.58 0.42 0.00 0.00 -1.00 0.00 0.00 55.97 55.97 3i1q s LYS 13 Cb -0.27 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3i1q s LYS 13 CO 0.34 -0.07 0.00 1.47 0.10 0.00 0.00 175.35 177.19 3i1q n LEU 14 N 4.82 0.00 0.00 2.77 -0.00 -1.26 -3.93 117.00 119.40 3i1q n LEU 14 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 3i1q n LEU 14 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3i1q n LEU 14 CO -0.05 -0.54 0.00 -0.38 -0.00 0.00 0.00 177.39 176.42 3i1q n ILE 15 N -1.46 0.00 -3.65 1.47 -0.00 -0.33 -4.85 119.36 110.54 3i1q n ILE 15 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 3i1q n ILE 15 Cb 0.00 -0.70 -0.05 0.00 -0.00 0.00 0.00 39.64 38.89 3i1q n ILE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1q s ALA 16 N -2.06 -0.87 0.20 -1.39 0.00 -1.26 -5.00 121.76 111.38 3i1q s ALA 16 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.97 3i1q s ALA 16 Cb 0.00 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3i1q s ALA 16 CO 0.00 -0.62 -0.18 0.54 0.00 0.00 0.00 175.76 175.49 3i1q s VAL 17 N -3.75 1.99 0.03 0.00 0.11 -1.26 -3.38 120.40 114.14 3i1q s VAL 17 Ca 0.03 -2.10 -0.10 0.00 -2.93 0.00 0.00 61.98 56.87 3i1q s VAL 17 Cb 0.02 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.86 3i1q s VAL 17 CO -0.12 -0.38 0.21 0.21 -3.33 0.00 0.00 175.10 171.70 3i1q s ASN 18 N -3.00 -0.01 0.02 3.54 3.04 0.17 -4.91 114.94 113.80 3i1q s ASN 18 Ca 0.21 -0.27 -0.00 0.00 0.04 0.00 0.00 52.86 52.84 3i1q s ASN 18 Cb -0.05 0.29 -0.02 0.00 -1.54 0.00 0.00 41.25 39.93 3i1q s ASN 18 CO 0.09 -0.52 -0.02 -0.60 -3.04 0.00 0.00 177.10 173.00 3i1q s ARG 19 N -2.25 0.32 0.00 0.43 3.00 -1.20 -1.61 118.95 117.64 3i1q s ARG 19 Ca -0.07 -0.60 0.00 0.00 -1.00 0.00 0.00 55.73 54.05 3i1q s ARG 19 Cb -0.02 0.12 0.00 0.00 0.00 0.00 0.00 34.95 35.04 3i1q s ARG 19 CO -0.02 -0.05 0.00 1.33 0.00 0.00 0.00 175.30 176.56 3i1q n VAL 20 N 1.59 0.00 -3.63 7.11 0.24 -1.24 -4.91 118.33 117.47 3i1q n VAL 20 Ca -0.24 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.01 3i1q n VAL 20 Cb 0.55 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 3i1q n VAL 20 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i1q s SER 21 N 1.00 -0.17 -0.03 -1.34 0.15 -1.26 -4.72 113.70 107.34 3i1q s SER 21 Ca 0.00 0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.96 3i1q s SER 21 Cb 0.00 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 3i1q s SER 21 CO 0.00 -0.09 0.02 1.17 1.20 0.00 0.00 173.24 175.53 3i1q n LYS 22 N 1.32 3.17 -2.16 5.44 4.81 -1.07 -4.99 118.16 124.69 3i1q n LYS 22 Ca -0.08 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3i1q n LYS 22 Cb 0.57 -1.07 0.00 0.00 0.02 0.00 0.00 35.03 34.55 3i1q n LYS 22 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3i1q n THR 23 N -2.05-12.51 -0.84 3.15 -1.04 -1.26 -4.96 114.28 94.77 3i1q n THR 23 Ca -0.04 3.11 0.00 0.00 -2.04 0.00 0.00 64.05 65.08 3i1q n THR 23 Cb 0.54 -5.33 0.00 0.00 -1.82 0.00 0.00 70.33 63.71 3i1q n THR 23 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3i1q n VAL 24 N 1.92 0.00 0.82 12.58 0.24 -0.96 -4.98 118.33 127.95 3i1q n VAL 24 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 3i1q n VAL 24 Cb 0.00 0.00 0.33 0.00 -1.47 0.00 0.00 33.84 32.70 3i1q n VAL 24 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3i1q n LYS 25 N 0.00 0.12 -1.29 7.34 5.02 -1.26 -3.84 118.16 124.25 3i1q n LYS 25 Ca 0.00 0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 3i1q n LYS 25 Cb 0.00 -1.60 0.12 0.00 -0.02 0.00 0.00 35.03 33.53 3i1q n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1q n GLY 26 N 1.43 5.59 2.01 0.72 0.00 -1.26 -5.04 105.19 108.64 3i1q n GLY 26 Ca 0.05 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3i1q n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 27 N -0.95 1.17 3.62 -0.02 0.00 -1.25 -4.93 105.19 102.83 3i1q n GLY 27 Ca 0.41 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 3i1q n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1q s ARG 28 N 0.00 0.41 0.19 1.61 1.70 -1.26 -2.26 118.95 119.34 3i1q s ARG 28 Ca 0.00 0.31 0.06 0.00 -0.47 0.00 0.00 55.73 55.64 3i1q s ARG 28 Cb 0.00 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 3i1q s ARG 28 CO 0.00 -0.08 0.09 -1.50 -1.08 0.00 0.00 175.30 172.73 3i1q s ILE 29 N -0.33 4.15 0.16 4.99 1.10 -1.26 -4.89 121.20 125.12 3i1q s ILE 29 Ca 0.03 -1.30 0.10 0.00 -0.51 0.00 0.00 60.65 58.97 3i1q s ILE 29 Cb -0.03 -3.13 -0.04 0.00 0.15 0.00 0.00 42.46 39.40 3i1q s ILE 29 CO -0.06 -0.16 -0.22 -0.36 -2.11 0.00 0.00 174.94 172.03 3i1q s PHE 30 N -1.84 2.07 0.31 3.50 0.40 -1.26 -2.59 117.98 118.57 3i1q s PHE 30 Ca 0.30 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 3i1q s PHE 30 Cb -0.09 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 3i1q s PHE 30 CO 0.22 0.37 0.27 -1.12 0.70 0.00 0.00 175.22 175.66 3i1q s SER 31 N -2.41 1.44 0.02 1.36 0.01 -1.26 -4.75 113.70 108.11 3i1q s SER 31 Ca 0.15 -1.70 0.02 0.00 1.31 0.00 0.00 55.95 55.73 3i1q s SER 31 Cb -0.08 0.54 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 3i1q s SER 31 CO 0.07 -1.05 -0.06 -0.36 0.41 0.00 0.00 173.24 172.25 3i1q s PHE 32 N -3.51 0.51 0.16 2.43 0.08 0.79 -3.25 117.98 115.19 3i1q s PHE 32 Ca 0.40 -0.33 -0.14 0.00 0.12 0.00 0.00 56.93 56.98 3i1q s PHE 32 Cb 0.03 -0.32 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 3i1q s PHE 32 CO 0.25 -0.07 0.39 0.95 -0.10 0.00 0.00 175.22 176.64 3i1q s THR 33 N -0.88 0.06 -0.21 0.64 -4.23 -0.63 0.20 115.64 110.59 3i1q s THR 33 Ca -0.06 -0.96 -0.29 0.00 -1.18 0.00 0.00 61.69 59.20 3i1q s THR 33 Cb -0.07 -1.53 0.14 0.00 1.34 0.00 0.00 72.50 72.38 3i1q s THR 33 CO 0.00 -0.28 1.08 0.00 -0.54 0.00 0.00 174.62 174.88 3i1q s ALA 34 N -3.88 -1.98 -0.20 3.99 0.00 -1.05 -0.65 121.76 117.98 3i1q s ALA 34 Ca 0.10 1.69 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 3i1q s ALA 34 Cb 0.02 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 3i1q s ALA 34 CO -0.05 -0.27 0.11 -1.17 0.00 0.00 0.00 175.76 174.38 3i1q s LEU 35 N -0.76 4.06 0.50 0.00 2.96 -1.22 -3.94 118.68 120.29 3i1q s LEU 35 Ca 0.01 0.16 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 3i1q s LEU 35 Cb -0.02 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.65 3i1q s LEU 35 CO -0.02 0.16 0.48 0.42 -1.32 0.00 0.00 176.35 176.06 3i1q s THR 36 N 0.50 2.13 -0.24 3.68 -4.23 0.25 -1.19 115.64 116.54 3i1q s THR 36 Ca 0.06 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 3i1q s THR 36 Cb -0.12 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.39 3i1q s THR 36 CO -0.00 0.00 0.45 -0.69 -0.54 0.00 0.00 174.62 173.83 3i1q s VAL 37 N -2.64 -0.71 0.51 2.29 1.01 -1.25 -1.89 120.40 117.72 3i1q s VAL 37 Ca 0.45 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3i1q s VAL 37 Cb -0.03 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3i1q s VAL 37 CO 0.27 -0.02 0.15 0.68 0.00 0.00 0.00 175.10 176.18 3i1q s VAL 38 N 2.64 1.46 0.00 2.92 -7.23 0.29 -4.10 120.40 116.38 3i1q s VAL 38 Ca 0.07 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3i1q s VAL 38 Cb -0.14 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3i1q s VAL 38 CO -0.16 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 3i1q n GLY 39 N -1.42 2.27 0.08 2.32 0.00 -1.26 0.43 105.19 107.60 3i1q n GLY 39 Ca -0.11 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 3i1q n GLY 39 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i1q h ASP 40 N 0.00 0.00 0.00 1.61 2.03 -1.81 -3.44 116.42 114.80 3i1q h ASP 40 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3i1q h ASP 40 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3i1q h ASP 40 CO 0.00 0.89 0.00 0.61 -1.03 0.00 0.00 179.24 179.71 3i1q n GLY 41 N 1.34 1.59 2.48 7.15 0.00 -1.25 -4.84 105.19 111.67 3i1q n GLY 41 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3i1q n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1q n ASN 42 N 0.00 0.05 0.00 1.61 4.05 -1.26 -4.49 115.26 115.22 3i1q n ASN 42 Ca 0.00 -2.99 0.00 0.00 0.45 0.00 0.00 54.58 52.04 3i1q n ASN 42 Cb 0.00 0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.10 3i1q n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1q n GLY 43 N 0.09 2.25 3.42 8.20 0.00 -0.76 -4.92 105.19 113.48 3i1q n GLY 43 Ca 0.14 -0.69 -0.61 0.00 0.00 0.00 0.00 46.02 44.86 3i1q n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1q n ARG 44 N 0.00 0.00 -3.68 1.61 1.74 -1.25 -3.93 116.66 111.14 3i1q n ARG 44 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3i1q n ARG 44 Cb 0.00 -1.39 -0.16 0.00 -1.02 0.00 0.00 32.46 29.89 3i1q n ARG 44 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i1q s VAL 45 N 2.04 0.42 -0.40 1.55 -7.23 -0.92 -3.61 120.40 112.25 3i1q s VAL 45 Ca 0.94 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 60.25 3i1q s VAL 45 Cb -1.34 -1.13 0.06 0.00 0.56 0.00 0.00 36.38 34.54 3i1q s VAL 45 CO 0.70 -0.44 0.24 -0.83 -0.31 0.00 0.00 175.10 174.46 3i1q s GLY 46 N 1.88 1.95 0.44 2.32 0.00 0.17 -3.81 107.32 110.27 3i1q s GLY 46 Ca 0.04 -2.02 -0.01 0.00 0.00 0.00 0.00 44.72 42.73 3i1q s GLY 46 CO -0.18 0.93 0.67 -0.11 0.00 0.00 0.00 173.10 174.41 3i1q s PHE 47 N 1.46 3.33 -0.28 1.90 -0.71 -1.25 -0.55 117.98 121.89 3i1q s PHE 47 Ca 0.02 0.36 -0.23 0.00 -1.04 0.00 0.00 56.93 56.05 3i1q s PHE 47 Cb -0.22 -2.24 0.09 0.00 -1.21 0.00 0.00 43.02 39.43 3i1q s PHE 47 CO 0.03 -0.27 0.78 0.20 -1.34 0.00 0.00 175.22 174.63 3i1q s GLY 48 N -4.17 -0.46 0.00 1.99 0.00 -0.79 -3.56 107.32 100.32 3i1q s GLY 48 Ca 0.47 2.30 0.00 0.00 0.00 0.00 0.00 44.72 47.48 3i1q s GLY 48 CO 0.39 1.96 0.00 2.98 0.00 0.00 0.00 173.10 178.43 3i1q n TYR 49 N 3.02 0.00 0.00 1.90 -0.00 -1.25 0.84 117.16 121.66 3i1q n TYR 49 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3i1q n TYR 49 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 3i1q n TYR 49 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3i1q n GLY 50 N 4.60 -2.27 1.50 2.98 0.00 -1.26 -3.32 105.19 107.42 3i1q n GLY 50 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3i1q n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i1q n LYS 51 N -1.49 0.20 -3.24 1.61 2.85 -1.26 -2.52 118.16 114.30 3i1q n LYS 51 Ca 0.00 -1.55 0.00 0.00 -1.05 0.00 0.00 58.31 55.71 3i1q n LYS 51 Cb 0.00 1.28 0.00 0.00 -0.65 0.00 0.00 35.03 35.66 3i1q n LYS 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1q n ALA 52 N -1.93 0.00 0.31 0.58 0.00 0.53 -4.78 120.51 115.22 3i1q n ALA 52 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 3i1q n ALA 52 Cb 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 3i1q n ALA 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1q n ARG 53 N 0.00 1.71 -4.48 0.00 0.63 -1.26 0.28 116.66 113.54 3i1q n ARG 53 Ca 0.00 -0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.67 3i1q n ARG 53 Cb 0.00 -1.19 -0.15 0.00 0.45 0.00 0.00 32.46 31.57 3i1q n ARG 53 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3i1q s GLU 54 N -2.51 0.90 0.23 -0.14 2.02 -1.26 -4.37 118.70 113.57 3i1q s GLU 54 Ca 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 3i1q s GLU 54 Cb 0.09 -0.87 0.39 0.00 0.10 0.00 0.00 34.13 33.84 3i1q s GLU 54 CO 0.52 0.24 1.76 0.28 0.02 0.00 0.00 175.26 178.08 3i1q h VAL 55 N 4.85 0.76 0.00 2.63 2.07 -1.94 -2.98 116.25 121.64 3i1q h VAL 55 Ca -0.32 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3i1q h VAL 55 Cb 1.17 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3i1q h VAL 55 CO 0.49 0.10 0.00 -0.81 0.02 0.00 0.00 177.57 177.37 3i1q n PRO 56 N -4.93 0.00 0.00 1.57 -0.04 -1.26 -1.77 135.00 128.57 3i1q n PRO 56 Ca 0.13 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3i1q n PRO 56 Cb 0.34 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 3i1q n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1q n ALA 57 N -2.60 1.16 -0.60 0.55 0.00 -1.24 -2.56 120.51 115.22 3i1q n ALA 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 57 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3i1q n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q n ALA 58 N 0.53 0.00 0.28 0.00 0.00 -0.73 -3.73 120.51 116.86 3i1q n ALA 58 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.50 3i1q n ALA 58 Cb 0.02 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.31 3i1q n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3i1q h ILE 59 N 0.00 0.49 -0.16 0.00 6.09 -1.16 0.62 117.51 123.39 3i1q h ILE 59 Ca 0.00 -0.28 -0.13 0.00 -1.37 0.00 0.00 64.86 63.09 3i1q h ILE 59 Cb 0.00 1.18 0.00 0.00 0.47 0.00 0.00 36.82 38.48 3i1q h ILE 59 CO 0.00 0.06 -0.39 -0.61 -3.07 0.00 0.00 178.15 174.14 3i1q h GLN 60 N 0.00 0.55 0.00 2.19 4.15 -1.74 -1.44 115.11 118.83 3i1q h GLN 60 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3i1q h GLN 60 Cb 0.18 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3i1q h GLN 60 CO 0.01 0.99 0.00 1.17 -1.93 0.00 0.00 178.83 179.07 3i1q n LYS 61 N -4.29 0.13 -0.07 1.69 4.81 0.19 -0.27 118.16 120.35 3i1q n LYS 61 Ca -0.07 0.14 -0.10 0.00 -0.87 0.00 0.00 58.31 57.42 3i1q n LYS 61 Cb 0.53 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 3i1q n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1q n ALA 62 N -1.18 1.50 -0.16 3.14 0.00 0.39 -4.06 120.51 120.14 3i1q n ALA 62 Ca 0.03 -1.13 -0.09 0.00 0.00 0.00 0.00 53.44 52.26 3i1q n ALA 62 Cb 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3i1q n ALA 62 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i1q h MET 63 N 0.00 0.70 -0.89 0.00 2.86 0.25 -1.60 114.93 116.25 3i1q h MET 63 Ca -0.45 -0.14 0.11 0.00 -2.06 0.00 0.00 59.70 57.16 3i1q h MET 63 Cb 2.16 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 33.65 3i1q h MET 63 CO 0.05 0.65 0.57 1.49 1.06 0.00 0.00 176.91 180.73 3i1q h GLU 64 N 0.60 0.81 0.00 1.72 4.22 -1.65 0.58 114.58 120.86 3i1q h GLU 64 Ca 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.54 3i1q h GLU 64 Cb 0.22 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i1q h GLU 64 CO -0.01 0.54 -0.26 0.87 -2.18 0.00 0.00 179.01 177.96 3i1q h LYS 65 N 0.83 0.00 0.02 1.92 1.79 -1.68 -3.32 116.57 116.13 3i1q h LYS 65 Ca 0.42 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.72 3i1q h LYS 65 Cb 0.49 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 3i1q h LYS 65 CO -0.19 0.00 -0.69 0.00 -1.08 0.00 0.00 179.45 177.49 3i1q h ALA 66 N 2.21 0.06 0.72 3.86 0.00 0.10 -3.31 119.26 122.91 3i1q h ALA 66 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3i1q h ALA 66 Cb 0.90 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i1q h ALA 66 CO 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 179.25 179.22 3i1q h ARG 67 N -0.07 -1.03 0.00 0.00 2.47 -0.73 -3.33 114.38 111.70 3i1q h ARG 67 Ca -0.09 0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 3i1q h ARG 67 Cb 1.41 0.23 0.03 0.00 -1.65 0.00 0.00 29.97 29.99 3i1q h ARG 67 CO 0.13 -0.69 0.06 0.54 0.56 0.00 0.00 179.97 180.58 3i1q n ARG 68 N -5.11 -0.70 -1.84 0.04 5.12 -1.25 -4.14 116.66 108.77 3i1q n ARG 68 Ca -0.13 -0.37 -0.21 0.00 -1.93 0.00 0.00 57.85 55.21 3i1q n ARG 68 Cb 0.44 -0.28 -0.07 0.00 -1.16 0.00 0.00 32.46 31.40 3i1q n ARG 68 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1q n ASN 69 N -3.24 -5.60 -4.66 0.55 2.85 -1.26 -4.58 115.26 99.32 3i1q n ASN 69 Ca 0.03 0.36 -0.41 0.00 -0.11 0.00 0.00 54.58 54.44 3i1q n ASN 69 Cb 0.11 -4.85 -0.04 0.00 1.24 0.00 0.00 39.78 36.23 3i1q n ASN 69 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3i1q s MET 70 N -4.15 4.27 0.40 1.20 1.75 -1.26 -4.42 119.30 117.09 3i1q s MET 70 Ca 0.00 0.97 0.07 0.00 -1.25 0.00 0.00 55.69 55.48 3i1q s MET 70 Cb 0.00 -3.59 -0.07 0.00 2.84 0.00 0.00 34.83 34.01 3i1q s MET 70 CO 0.00 -0.35 0.07 -1.50 -0.65 0.00 0.00 175.02 172.58 3i1q s ILE 71 N 2.26 2.16 -0.14 10.11 2.07 -1.25 -4.93 121.20 131.47 3i1q s ILE 71 Ca 0.37 -1.90 -0.11 0.00 -1.41 0.00 0.00 60.65 57.60 3i1q s ILE 71 Cb -0.16 -2.97 -0.05 0.00 0.13 0.00 0.00 42.46 39.41 3i1q s ILE 71 CO 0.11 -0.02 0.22 0.20 -1.91 0.00 0.00 174.94 173.55 3i1q s ASN 72 N -3.78 6.41 -0.20 4.50 0.02 -1.26 -2.15 114.94 118.48 3i1q s ASN 72 Ca 0.37 0.48 -0.08 0.00 -1.02 0.00 0.00 52.86 52.61 3i1q s ASN 72 Cb 0.07 -2.14 -0.04 0.00 0.02 0.00 0.00 41.25 39.16 3i1q s ASN 72 CO 0.20 0.23 0.08 -0.69 0.02 0.00 0.00 177.10 176.94 3i1q s VAL 73 N -0.13 4.86 -1.33 1.60 1.01 -1.25 -4.19 120.40 120.97 3i1q s VAL 73 Ca 0.15 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3i1q s VAL 73 Cb -0.13 -3.21 0.13 0.00 0.00 0.00 0.00 36.38 33.17 3i1q s VAL 73 CO 0.03 0.43 2.02 0.00 0.00 0.00 0.00 175.10 177.59 3i1q n ALA 74 N 3.80 5.61 -0.87 5.51 0.00 -1.23 -4.62 120.51 128.71 3i1q n ALA 74 Ca -0.16 -4.19 -0.30 0.00 0.00 0.00 0.00 53.44 48.79 3i1q n ALA 74 Cb 0.52 -3.08 0.17 0.00 0.00 0.00 0.00 19.45 17.07 3i1q n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1q s LEU 75 N 0.10 2.15 -0.35 0.00 1.02 -1.26 -4.61 118.68 115.74 3i1q s LEU 75 Ca 0.43 1.76 0.00 0.00 0.02 0.00 0.00 54.13 56.34 3i1q s LEU 75 Cb 0.12 -4.06 0.14 0.00 0.02 0.00 0.00 46.19 42.41 3i1q s LEU 75 CO -0.02 -3.15 0.23 0.21 0.02 0.00 0.00 176.35 173.64 3i1q s ASN 76 N -2.93 2.67 0.00 2.29 2.47 -1.23 -4.84 114.94 113.38 3i1q s ASN 76 Ca 0.66 -1.98 0.00 0.00 0.42 0.00 0.00 52.86 51.95 3i1q s ASN 76 Cb -0.21 -0.21 0.00 0.00 -1.45 0.00 0.00 41.25 39.38 3i1q s ASN 76 CO 0.59 -0.31 0.00 -3.20 -3.72 0.00 0.00 177.10 170.46 3i1q n ASN 77 N 4.20 0.00 0.00 -4.21 4.05 -1.26 -4.52 115.26 113.52 3i1q n ASN 77 Ca 0.10 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.13 3i1q n ASN 77 Cb 0.39 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.40 3i1q n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1q n GLY 78 N 0.00 0.00 3.59 8.20 0.00 -1.26 -5.12 105.19 110.60 3i1q n GLY 78 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i1q n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1q s THR 79 N 0.00 0.00 -0.26 2.61 -1.32 -1.26 -0.57 115.64 114.84 3i1q s THR 79 Ca 0.00 -0.04 -0.37 0.00 -1.21 0.00 0.00 61.69 60.07 3i1q s THR 79 Cb 0.00 -1.67 -0.13 0.00 -1.51 0.00 0.00 72.50 69.19 3i1q s THR 79 CO 0.00 0.00 1.94 0.18 -2.21 0.00 0.00 174.62 174.53 3i1q n LEU 80 N -0.34 2.56 0.08 9.08 7.99 -1.26 -3.48 117.00 131.63 3i1q n LEU 80 Ca -0.05 0.82 -0.03 0.00 -0.01 0.00 0.00 56.01 56.74 3i1q n LEU 80 Cb 0.61 -1.24 -0.01 0.00 -0.11 0.00 0.00 43.42 42.67 3i1q n LEU 80 CO 0.10 -0.44 0.50 1.56 -1.51 0.00 0.00 177.39 177.61 3i1q h GLN 81 N 9.50 -0.19 -6.20 3.23 7.50 -1.86 -3.39 115.11 123.70 3i1q h GLN 81 Ca -0.40 0.01 -0.50 0.00 0.50 0.00 0.00 58.65 58.27 3i1q h GLN 81 Cb 1.31 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.84 3i1q h GLN 81 CO 0.98 -0.13 -0.48 -3.38 -1.50 0.00 0.00 178.83 174.33 3i1q s HIS 82 N -3.42 2.99 -0.20 2.96 -3.43 -1.26 -4.42 115.29 108.52 3i1q s HIS 82 Ca -0.03 -0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 53.72 3i1q s HIS 82 Cb 0.00 -1.65 -0.01 0.00 -1.43 0.00 0.00 32.58 29.50 3i1q s HIS 82 CO 0.09 0.31 1.24 -1.25 -2.00 0.00 0.00 174.74 173.13 3i1q s PRO 83 N -3.94 4.19 -0.17 -0.38 0.04 -1.26 -4.54 135.00 128.94 3i1q s PRO 83 Ca 0.38 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 3i1q s PRO 83 Cb -0.07 -3.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.67 3i1q s PRO 83 CO 0.26 -0.76 0.01 0.54 0.04 0.00 0.00 177.00 177.09 3i1q s VAL 84 N 3.60 4.36 0.02 -0.36 0.11 -1.26 -4.92 120.40 121.95 3i1q s VAL 84 Ca 0.53 -0.19 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 3i1q s VAL 84 Cb -0.20 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 3i1q s VAL 84 CO 0.15 0.48 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.48 3i1q s LYS 85 N 0.35 2.20 0.16 1.54 2.20 -1.26 -3.12 119.74 121.81 3i1q s LYS 85 Ca -0.00 -0.90 -0.24 0.00 -0.36 0.00 0.00 55.97 54.47 3i1q s LYS 85 Cb -0.13 -2.24 0.07 0.00 -1.51 0.00 0.00 37.83 34.02 3i1q s LYS 85 CO 0.01 0.56 0.99 0.20 -0.36 0.00 0.00 175.35 176.76 3i1q s GLY 86 N -1.24 -0.14 0.28 5.54 0.00 -0.90 -4.93 107.32 105.94 3i1q s GLY 86 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.90 3i1q s GLY 86 CO 0.04 0.56 0.20 -1.34 0.00 0.00 0.00 173.10 172.56 3i1q s VAL 87 N -2.95 0.10 -0.30 1.40 -7.23 -1.26 -0.74 120.40 109.43 3i1q s VAL 87 Ca 0.15 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3i1q s VAL 87 Cb -0.01 -2.50 0.19 0.00 0.56 0.00 0.00 36.38 34.61 3i1q s VAL 87 CO 0.03 0.00 0.90 -2.28 -0.31 0.00 0.00 175.10 173.45 3i1q s HIS 88 N -3.70 -0.90 0.00 2.82 2.46 0.23 -4.70 115.29 111.50 3i1q s HIS 88 Ca 0.38 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.60 3i1q s HIS 88 Cb 0.04 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 3i1q s HIS 88 CO 0.20 -0.51 0.00 2.41 -2.47 0.00 0.00 174.74 174.37 3i1q n THR 89 N 5.32 0.00 1.19 0.89 -1.04 -1.26 -0.69 114.28 118.68 3i1q n THR 89 Ca 0.03 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.08 3i1q n THR 89 Cb 0.55 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.17 3i1q n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1q n GLY 90 N 0.00 0.19 3.25 3.41 0.00 -1.26 -4.90 105.19 105.88 3i1q n GLY 90 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3i1q n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1q s SER 91 N -1.00 4.71 -0.84 1.61 0.01 0.13 0.22 113.70 118.54 3i1q s SER 91 Ca 0.17 -0.87 -0.03 0.00 1.31 0.00 0.00 55.95 56.53 3i1q s SER 91 Cb 0.09 -1.75 0.21 0.00 0.21 0.00 0.00 66.02 64.77 3i1q s SER 91 CO 0.12 -0.17 0.72 -0.13 0.41 0.00 0.00 173.24 174.18 3i1q s ARG 92 N 1.38 3.19 0.19 12.44 1.81 -0.92 0.77 118.95 137.81 3i1q s ARG 92 Ca 0.00 -3.05 -0.30 0.00 -1.72 0.00 0.00 55.73 50.66 3i1q s ARG 92 Cb -0.17 -3.97 -0.08 0.00 -0.45 0.00 0.00 34.95 30.28 3i1q s ARG 92 CO -0.01 -1.24 0.95 0.08 -0.68 0.00 0.00 175.30 174.39 3i1q s VAL 93 N -0.96 4.25 -0.03 3.52 1.01 0.09 0.12 120.40 128.39 3i1q s VAL 93 Ca 0.25 2.08 -0.01 0.00 0.00 0.00 0.00 61.98 64.30 3i1q s VAL 93 Cb -0.11 -4.33 0.03 0.00 0.00 0.00 0.00 36.38 31.97 3i1q s VAL 93 CO -0.10 0.42 0.07 0.12 0.00 0.00 0.00 175.10 175.61 3i1q s PHE 94 N -0.69 -0.04 0.45 5.22 2.19 -1.26 -2.11 117.98 121.74 3i1q s PHE 94 Ca 0.43 0.23 0.06 0.00 0.33 0.00 0.00 56.93 57.98 3i1q s PHE 94 Cb -0.25 -0.14 -0.03 0.00 -1.31 0.00 0.00 43.02 41.29 3i1q s PHE 94 CO 0.31 -0.10 0.18 0.00 1.83 0.00 0.00 175.22 177.44 3i1q s MET 95 N 0.87 2.20 0.38 10.12 0.23 -1.18 -2.92 119.30 129.00 3i1q s MET 95 Ca -0.07 -1.98 0.07 0.00 -1.03 0.00 0.00 55.69 52.67 3i1q s MET 95 Cb -0.10 -1.90 -0.07 0.00 -1.53 0.00 0.00 34.83 31.23 3i1q s MET 95 CO -0.03 -0.24 0.00 -0.65 -2.03 0.00 0.00 175.02 172.08 3i1q s GLN 96 N -3.95 1.85 0.00 3.16 -1.52 -1.19 -4.05 119.66 113.95 3i1q s GLN 96 Ca 0.34 -2.03 0.00 0.00 -1.95 0.00 0.00 55.36 51.72 3i1q s GLN 96 Cb 0.03 -1.44 0.00 0.00 -0.22 0.00 0.00 33.01 31.38 3i1q s GLN 96 CO 0.19 -0.05 0.00 -0.35 -0.25 0.00 0.00 175.29 174.82 3i1q n PRO 97 N -0.86 0.00 0.00 2.91 -0.04 -1.26 -4.35 135.00 131.40 3i1q n PRO 97 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3i1q n PRO 97 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 3i1q n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1q n ALA 98 N -3.00 0.00 -2.13 0.55 0.00 -1.26 -3.84 120.51 110.82 3i1q n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1q n SER 99 N -3.79 0.14 -4.17 0.00 3.41 -1.26 -4.41 113.62 103.54 3i1q n SER 99 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3i1q n SER 99 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 3i1q n SER 99 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3i1q s GLU 100 N 3.20 2.35 -0.05 4.33 -1.05 -1.26 -4.38 118.70 121.84 3i1q s GLU 100 Ca 0.00 -0.72 0.18 0.00 -0.15 0.00 0.00 54.97 54.28 3i1q s GLU 100 Cb 0.00 -1.89 -0.28 0.00 -0.44 0.00 0.00 34.13 31.52 3i1q s GLU 100 CO 0.00 0.20 0.36 0.41 0.95 0.00 0.00 175.26 177.18 3i1q n GLY 101 N 3.38 -0.85 1.46 -3.83 0.00 -1.26 -4.88 105.19 99.21 3i1q n GLY 101 Ca -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i1q n GLY 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1q n THR 102 N -2.22 0.59 0.00 2.61 -1.04 -1.26 -5.16 114.28 107.80 3i1q n THR 102 Ca -0.07 0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 3i1q n THR 102 Cb 0.57 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3i1q n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1q n GLY 103 N 2.59 3.08 2.40 3.41 0.00 -1.26 -5.04 105.19 110.37 3i1q n GLY 103 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 3i1q n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1q n ILE 104 N 0.00 -1.48 -4.04 -0.61 3.06 -1.26 -4.95 119.36 110.08 3i1q n ILE 104 Ca 0.00 0.33 -0.33 0.00 -2.50 0.00 0.00 62.75 60.25 3i1q n ILE 104 Cb 0.00 -2.12 -0.15 0.00 0.54 0.00 0.00 39.64 37.91 3i1q n ILE 104 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 3i1q s ILE 105 N -0.72 2.38 -0.20 9.51 -4.36 -1.22 -5.00 121.20 121.59 3i1q s ILE 105 Ca 0.02 -1.28 -0.27 0.00 -0.26 0.00 0.00 60.65 58.86 3i1q s ILE 105 Cb -0.00 -2.25 0.07 0.00 1.25 0.00 0.00 42.46 41.53 3i1q s ILE 105 CO 0.04 0.17 0.71 0.00 0.24 0.00 0.00 174.94 176.10 3i1q s ALA 106 N 1.22 -1.77 0.46 2.27 0.00 -1.26 -3.82 121.76 118.86 3i1q s ALA 106 Ca -0.03 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3i1q s ALA 106 Cb -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.12 3i1q s ALA 106 CO -0.07 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3i1q n GLY 107 N 2.16 -1.59 3.68 0.00 0.00 -1.26 -4.34 105.19 103.84 3i1q n GLY 107 Ca -0.15 -0.54 -0.58 0.00 0.00 0.00 0.00 46.02 44.74 3i1q n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 108 N 0.00 0.59 7.00 -0.02 0.00 -1.26 -4.40 105.19 107.09 3i1q n GLY 108 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.91 3i1q n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n ALA 109 N 4.31 0.00 -0.94 4.61 0.00 -1.26 -4.75 120.51 122.48 3i1q n ALA 109 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 3i1q n ALA 109 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.55 3i1q n ALA 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i1q n MET 110 N 0.00 -1.13 0.00 0.00 2.00 -1.26 -4.22 117.12 112.51 3i1q n MET 110 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.77 3i1q n MET 110 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 33.22 29.27 3i1q n MET 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3i1q n ARG 111 N -0.97 0.01 0.00 0.03 0.63 -1.26 -4.13 116.66 110.98 3i1q n ARG 111 Ca -0.01 -0.33 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 3i1q n ARG 111 Cb 0.04 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.45 3i1q n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1q n ALA 112 N -0.00 1.63 -0.09 5.13 0.00 -1.26 -4.15 120.51 121.77 3i1q n ALA 112 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i1q n ALA 112 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.76 3i1q n ALA 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1q n VAL 113 N -1.22 1.07 0.29 0.00 0.24 -1.26 -3.99 118.33 113.45 3i1q n VAL 113 Ca 0.00 -0.52 0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3i1q n VAL 113 Cb 0.00 -0.91 0.20 0.00 -1.47 0.00 0.00 33.84 31.66 3i1q n VAL 113 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3i1q h LEU 114 N 0.00 0.00 0.00 1.34 4.07 -1.85 -2.61 115.31 116.25 3i1q h LEU 114 Ca -0.42 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3i1q h LEU 114 Cb 1.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.53 3i1q h LEU 114 CO -0.02 0.00 -1.07 1.21 -1.08 0.00 0.00 178.44 177.48 3i1q n GLU 115 N -2.90 0.47 -0.06 1.13 0.00 -1.26 -4.06 120.64 113.96 3i1q n GLU 115 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 57.16 57.11 3i1q n GLU 115 Cb 0.51 -1.70 -0.14 0.00 0.00 0.00 0.00 31.44 30.11 3i1q n GLU 115 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3i1q n VAL 116 N -2.34 1.56 0.00 6.31 0.24 -1.23 -4.01 118.33 118.86 3i1q n VAL 116 Ca 0.01 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3i1q n VAL 116 Cb 0.50 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.81 3i1q n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1q n ALA 117 N -2.81 1.04 -0.08 2.33 0.00 -0.99 -3.80 120.51 116.20 3i1q n ALA 117 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3i1q n ALA 117 Cb 1.07 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3i1q n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 118 N -1.28 2.13 3.75 0.00 0.00 -1.26 -1.82 105.19 106.71 3i1q n GLY 118 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i1q n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1q s VAL 119 N -2.84 3.88 -0.27 1.61 -7.23 -1.26 -4.71 120.40 109.58 3i1q s VAL 119 Ca 0.00 1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 61.91 3i1q s VAL 119 Cb 0.00 -4.13 0.11 0.00 0.56 0.00 0.00 36.38 32.92 3i1q s VAL 119 CO 0.00 0.38 0.18 -1.00 -0.31 0.00 0.00 175.10 174.35 3i1q s HIS 120 N -0.80 0.04 0.00 2.82 0.09 0.26 -4.65 115.29 113.05 3i1q s HIS 120 Ca 0.45 -0.54 0.00 0.00 -0.00 0.00 0.00 55.06 54.97 3i1q s HIS 120 Cb -0.28 -0.71 0.00 0.00 -0.00 0.00 0.00 32.58 31.58 3i1q s HIS 120 CO 0.35 -0.81 0.00 0.27 -0.00 0.00 0.00 174.74 174.55 3i1q n ASN 121 N 5.28 0.00 -4.51 1.40 2.04 -1.26 -4.81 115.26 113.40 3i1q n ASN 121 Ca -0.05 0.00 -0.33 0.00 -0.44 0.00 0.00 54.58 53.76 3i1q n ASN 121 Cb 0.44 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.81 3i1q n ASN 121 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 3i1q n VAL 122 N 0.00 0.74 -4.07 3.53 0.24 -1.25 -4.18 118.33 113.34 3i1q n VAL 122 Ca 0.00 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 3i1q n VAL 122 Cb 0.00 -0.79 -0.16 0.00 -1.47 0.00 0.00 33.84 31.42 3i1q n VAL 122 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1q s LEU 123 N -2.37 2.18 0.27 1.34 1.02 -1.26 -3.46 118.68 116.40 3i1q s LEU 123 Ca 0.63 -0.72 0.03 0.00 0.02 0.00 0.00 54.13 54.09 3i1q s LEU 123 Cb -0.26 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 3i1q s LEU 123 CO 0.61 -0.05 0.20 0.00 0.02 0.00 0.00 176.35 177.13 3i1q s ALA 124 N 1.33 1.61 -0.30 4.21 0.00 -1.25 -3.20 121.76 124.17 3i1q s ALA 124 Ca 0.03 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 49.97 3i1q s ALA 124 Cb -0.14 1.38 0.17 0.00 0.00 0.00 0.00 23.12 24.53 3i1q s ALA 124 CO -0.11 -0.60 1.07 0.21 0.00 0.00 0.00 175.76 176.33 3i1q s LYS 125 N -3.81 0.25 0.57 0.00 2.20 -1.15 -4.83 119.74 112.98 3i1q s LYS 125 Ca 0.39 0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 56.48 3i1q s LYS 125 Cb 0.05 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3i1q s LYS 125 CO 0.19 -0.06 0.83 0.00 -0.36 0.00 0.00 175.35 175.95 3i1q s ALA 126 N 1.69 3.58 0.02 3.13 0.00 -1.26 -4.06 121.76 124.87 3i1q s ALA 126 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3i1q s ALA 126 Cb -0.04 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 3i1q s ALA 126 CO -0.15 -0.81 0.01 0.66 0.00 0.00 0.00 175.76 175.47 3i1q n TYR 127 N -2.47 0.02 -0.05 0.00 0.53 0.31 -4.91 117.16 110.60 3i1q n TYR 127 Ca 0.06 -0.15 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 3i1q n TYR 127 Cb 0.59 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.90 3i1q n TYR 127 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i1q n GLY 128 N 2.47 3.31 3.73 2.72 0.00 -1.26 -2.17 105.19 113.99 3i1q n GLY 128 Ca -0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3i1q n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1q s SER 129 N -4.00 4.23 -0.16 1.61 1.04 0.60 -4.92 113.70 112.10 3i1q s SER 129 Ca 0.00 2.20 -0.13 0.00 0.48 0.00 0.00 55.95 58.49 3i1q s SER 129 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 3i1q s SER 129 CO 0.00 -2.23 0.00 0.00 0.98 0.00 0.00 173.24 172.00 3i1q h THR 130 N -0.55 0.38 0.00 2.02 1.03 -1.85 -3.44 112.91 110.50 3i1q h THR 130 Ca -0.46 -1.45 0.00 0.00 -0.01 0.00 0.00 66.41 64.48 3i1q h THR 130 Cb 1.27 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 3i1q h THR 130 CO 0.50 0.13 0.00 -3.20 -0.01 0.00 0.00 175.52 172.93 3i1q n ASN 131 N -4.57 0.00 0.22 0.00 2.85 -1.26 -4.57 115.26 107.93 3i1q n ASN 131 Ca -0.15 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.15 3i1q n ASN 131 Cb 0.40 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.33 3i1q n ASN 131 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3i1q h PRO 132 N 0.00 -0.83 0.00 1.20 0.13 -1.98 -2.13 132.00 128.39 3i1q h PRO 132 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3i1q h PRO 132 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 3i1q h PRO 132 CO 0.00 -0.56 0.02 -0.89 -0.23 0.00 0.00 178.00 176.34 3i1q n ILE 133 N -5.26 0.35 0.00 -3.56 -0.00 -1.26 -1.54 119.36 108.09 3i1q n ILE 133 Ca -0.10 0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3i1q n ILE 133 Cb 0.41 -1.10 0.00 0.00 -0.00 0.00 0.00 39.64 38.95 3i1q n ILE 133 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3i1q n ASN 134 N -1.03 1.88 -0.29 4.38 3.02 -1.23 -4.63 115.26 117.36 3i1q n ASN 134 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3i1q n ASN 134 Cb 0.02 0.04 0.38 0.00 -0.61 0.00 0.00 39.78 39.60 3i1q n ASN 134 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3i1q h VAL 135 N 0.00 0.80 -2.58 2.41 3.04 -0.57 -1.74 116.25 117.61 3i1q h VAL 135 Ca 0.00 -0.24 -0.65 0.00 -1.01 0.00 0.00 66.70 64.80 3i1q h VAL 135 Cb 0.45 0.05 -0.39 0.00 -2.01 0.00 0.00 31.29 29.39 3i1q h VAL 135 CO 0.00 0.13 -0.29 0.55 -1.01 0.00 0.00 177.57 176.95 3i1q n VAL 136 N -4.59 2.87 -0.29 1.51 3.14 -0.60 -4.19 118.33 116.18 3i1q n VAL 136 Ca 0.19 -5.29 0.00 0.00 -2.96 0.00 0.00 64.34 56.28 3i1q n VAL 136 Cb 0.51 -2.14 0.00 0.00 -1.06 0.00 0.00 33.84 31.15 3i1q n VAL 136 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3i1q n ARG 137 N 1.26 0.00 0.00 1.45 0.63 -0.73 -4.81 116.66 114.47 3i1q n ARG 137 Ca 0.27 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.27 3i1q n ARG 137 Cb 0.38 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.23 3i1q n ARG 137 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i1q n ALA 138 N 0.00 3.80 0.06 5.13 0.00 -0.76 -3.74 120.51 124.99 3i1q n ALA 138 Ca 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.06 3i1q n ALA 138 Cb 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 3i1q n ALA 138 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1q n THR 139 N -1.01 0.54 0.00 0.00 -2.24 -1.26 -1.99 114.28 108.32 3i1q n THR 139 Ca 0.04 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 61.04 3i1q n THR 139 Cb 0.27 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 3i1q n THR 139 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3i1q h ILE 140 N 0.00 0.67 0.00 2.28 5.03 -1.92 -3.26 117.51 120.31 3i1q h ILE 140 Ca -0.04 -2.34 0.00 0.00 -0.12 0.00 0.00 64.86 62.36 3i1q h ILE 140 Cb 1.11 2.51 0.00 0.00 -3.03 0.00 0.00 36.82 37.41 3i1q h ILE 140 CO 0.01 0.86 0.00 -0.67 -0.68 0.00 0.00 178.15 177.66 3i1q n ASP 141 N -3.57 0.00 -2.25 1.72 -0.08 -1.25 -2.22 116.55 108.91 3i1q n ASP 141 Ca -0.31 -0.39 -0.31 0.00 -1.51 0.00 0.00 54.79 52.27 3i1q n ASP 141 Cb 1.02 -0.15 0.05 0.00 2.34 0.00 0.00 41.12 44.38 3i1q n ASP 141 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1q n GLY 142 N 0.64 6.08 0.00 0.27 0.00 -0.84 -4.01 105.19 107.32 3i1q n GLY 142 Ca 0.15 -2.49 0.00 0.00 0.00 0.00 0.00 46.02 43.68 3i1q n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1q n LEU 143 N -0.79 0.00 0.02 0.99 4.77 -0.94 -4.73 117.00 116.32 3i1q n LEU 143 Ca 0.54 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3i1q n LEU 143 Cb 0.76 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.71 3i1q n LEU 143 CO 0.60 0.00 -0.38 -0.08 -1.33 0.00 0.00 177.39 176.20 3i1q h GLU 144 N 0.00 0.11 0.00 3.23 4.22 -1.64 -3.27 114.58 117.23 3i1q h GLU 144 Ca 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.26 3i1q h GLU 144 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3i1q h GLU 144 CO 0.00 0.85 0.00 -2.95 -2.18 0.00 0.00 179.01 174.73 3i1q h ASN 145 N 0.03 0.00 -2.55 1.04 -1.07 -1.86 -3.44 115.58 107.73 3i1q h ASN 145 Ca -0.24 0.00 -0.54 0.00 0.07 0.00 0.00 56.30 55.59 3i1q h ASN 145 Cb 1.97 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 38.24 3i1q h ASN 145 CO 0.11 0.00 1.11 -0.32 0.07 0.00 0.00 177.43 178.41 3i1q s MET 146 N -3.48 4.17 0.43 4.14 1.75 -1.23 -5.00 119.30 120.08 3i1q s MET 146 Ca 0.04 2.39 0.00 0.00 -1.25 0.00 0.00 55.69 56.87 3i1q s MET 146 Cb 0.08 -3.91 -0.01 0.00 2.84 0.00 0.00 34.83 33.83 3i1q s MET 146 CO 0.56 -0.85 0.65 0.54 -0.65 0.00 0.00 175.02 175.27 3i1q s ASN 147 N 3.39 5.93 -0.20 1.11 2.20 -1.26 -4.26 114.94 121.85 3i1q s ASN 147 Ca 0.79 0.33 -0.29 0.00 -0.94 0.00 0.00 52.86 52.74 3i1q s ASN 147 Cb -0.39 -1.64 0.00 0.00 -2.00 0.00 0.00 41.25 37.22 3i1q s ASN 147 CO 0.34 -0.62 1.07 -0.44 -2.94 0.00 0.00 177.10 174.52 3i1q s SER 148 N -4.18 7.09 0.01 3.54 0.01 -1.26 -4.90 113.70 114.02 3i1q s SER 148 Ca 0.47 1.46 0.26 0.00 1.31 0.00 0.00 55.95 59.45 3i1q s SER 148 Cb -0.10 -2.54 0.78 0.00 0.21 0.00 0.00 66.02 64.37 3i1q s SER 148 CO 0.38 -0.65 1.61 -0.81 0.41 0.00 0.00 173.24 174.18 3i1q n PRO 149 N 6.17 0.02 -0.10 12.44 -0.04 -1.26 -3.60 135.00 148.63 3i1q n PRO 149 Ca 0.12 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 3i1q n PRO 149 Cb 0.46 -1.51 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 3i1q n PRO 149 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i1q n GLU 150 N -1.54 0.69 -0.68 0.54 0.28 -1.26 -4.21 120.64 114.46 3i1q n GLU 150 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 3i1q n GLU 150 Cb 0.34 -1.52 0.23 0.00 1.43 0.00 0.00 31.44 31.92 3i1q n GLU 150 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3i1q n MET 151 N -2.77 2.42 0.00 3.44 2.81 -1.26 -4.82 117.12 116.93 3i1q n MET 151 Ca -0.33 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.54 3i1q n MET 151 Cb 1.15 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 3i1q n MET 151 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3i1q n VAL 152 N -0.82 0.65 0.27 2.03 0.24 -1.24 -3.32 118.33 116.14 3i1q n VAL 152 Ca 0.30 0.45 0.10 0.00 -2.04 0.00 0.00 64.34 63.15 3i1q n VAL 152 Cb 1.02 -1.45 0.73 0.00 -1.47 0.00 0.00 33.84 32.68 3i1q n VAL 152 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1q h ALA 153 N 0.73 1.77 0.08 2.33 0.00 -1.87 -1.59 119.26 120.71 3i1q h ALA 153 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i1q h ALA 153 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3i1q h ALA 153 CO 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 3i1q h ALA 154 N 1.98 -0.11 -0.24 0.00 0.00 -1.99 -3.02 119.26 115.88 3i1q h ALA 154 Ca -0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3i1q h ALA 154 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i1q h ALA 154 CO 0.00 -0.46 -0.50 1.57 0.00 0.00 0.00 179.25 179.86 3i1q h LYS 155 N -0.31 0.67 -7.53 0.00 5.09 -1.85 -3.42 116.57 109.23 3i1q h LYS 155 Ca -0.01 -0.40 -0.44 0.00 0.09 0.00 0.00 60.65 59.89 3i1q h LYS 155 Cb 0.27 0.04 0.16 0.00 0.10 0.00 0.00 32.23 32.80 3i1q h LYS 155 CO 0.02 1.02 0.26 1.03 -2.09 0.00 0.00 179.45 179.69 3i1q s ARG 156 N -4.12 0.11 0.00 0.07 1.81 -0.61 -3.82 118.95 112.39 3i1q s ARG 156 Ca -0.08 -0.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.92 3i1q s ARG 156 Cb 0.11 -1.75 0.00 0.00 -0.45 0.00 0.00 34.95 32.87 3i1q s ARG 156 CO 0.85 -2.84 0.00 0.41 -0.68 0.00 0.00 175.30 173.04 3i1q n GLY 157 N -2.08 0.83 0.64 -3.53 0.00 -1.26 -4.82 105.19 94.98 3i1q n GLY 157 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3i1q n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90